N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C49H30N2O2 — CID 169053230

About N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 169053230) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
• PubChem CID: 169053230
• Molecular Formula: C49H30N2O2
• Molecular Weight: 678.79 g/mol
• Exact Mass: 678.23
• IUPAC Name: N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
• SMILES: c1ccc(-c2ccc3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3c2)cc1
• InChI: InChI=1S/C49H30N2O2/c1-3-9-31(10-4-1)36-18-15-32-19-22-38(28-37(32)27-36)51(40-24-26-46-43(30-40)41-13-7-8-14-45(41)52-46)39-23-20-33-16-17-34-21-25-44-48(47(34)42(33)29-39)53-49(50-44)35-11-5-2-6-12-35/h1-30H
• InChIKey: SKMBMQBSMFQUNR-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.79
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

The IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 169053230) is N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

What is the SMILES notation for N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

The canonical SMILES for N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2ccc3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3c2)cc1.

What is the InChIKey of N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

The InChIKey is SKMBMQBSMFQUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c1-3-9-31(10-4-1)36-18-15-32-19-22-38(28-37(32)27-36)51(40-24-26-46-43(30-40)41-13-7-8-14-45(41)52-46)39-23-20-33-16-17-34-21-25-44-48(47(34)42(33)29-39)53-49(50-44)35-11-5-2-6-12-35/h1-30H.

What are the key properties of N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 678.79 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 169053230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).